화학공학소재연구정보센터
Journal of Chemical Physics, Vol.113, No.10, 4469-4471, 2000
First-order transition of a homopolymer chain with Lennard-Jones potential
The thermodynamics of a homopolymer chain with the Lennard-Jones (LJ) potential was studied by the multicanonical Monte Carlo method. The results confirm there indeed exists a liquid-solid-like first-order transition at lower temperatures for a free-joint chain, revealing that the transition is a characteristic of a homopolymer chain, independent of the algorithms and potential used in simulation.